Basic information
- CAS
85262-95-9- Standard SMILES
CCCC(=O)OCc1ccc(Cl)cc1Cl- InChIKey
XUFUPHXIEMPAFD-UHFFFAOYSA-N- Molecular formula
- C11H12Cl2O2
- Average molar mass
- 247.11 g/mol
- Monoisotopic mass
- 246.021435
Names & identifiers
- Preferred name
- (2,4-Dichlorophenyl)methyl butanoate
- IUPAC
- (2,4-dichlorophenyl)methyl butanoate
Names & synonyms
85262-95-9(2,4-dichlorophenyl)methyl butanoateNSC404635DTXSID10323676NSC-404635
Database identifiers
- CAS
85262-95-9- PubChem CID
- 346404
- DTXSID
DTXSID10323676
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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